SCHEMBL16598809

SCHEMBL16598809

Cc1ccc2[nH]c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
RXFP1 Q9HBX9 1/20 0.69
AKR1C3 P42330 1/20 0.61
HRH4 Q9H3N8 1/20 0.58
HTT P42858 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
FABP1 P07148 1/20 0.55
FABP6 P51161 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17954133 0.86 AKR1C3 (0.73) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL17954128 0.86 KMT2A (0.60) MEN1KMT2ARXFP1AKR1C3HRH4
SCHEMBL16598942 0.83 AKR1C3 (0.69) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL16599077 0.83 AKR1C3 (0.71) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL16599047 0.83 AKR1C3 (0.65) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL17954135 0.83 AKR1C3 (0.65) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL16598573 0.83 KDM4E (0.71) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL16598630 0.82 AKR1C3 (0.70) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL17954140 0.81 KMT2A (0.73) MEN1KMT2AAKR1C3HRH4NPC1
SCHEMBL16598772 0.81 AKR1C3 (0.65) MEN1KMT2AAKR1C3HRH4NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS MEN1 2201/4885KMT2A 1057/4885RXFP1 2255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.